SCHEMBL23947504

SCHEMBL23947504

COc1ccccc1-c1c(N)cc(Cl)nc1Br

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 4/20 0.56
HSP90AB1 P08238 3/20 0.56
ALDH1A1 P00352 9/20 0.44
KDM4E B2RXH2 5/20 0.44
HPGD P15428 2/20 0.44
ADORA2A P29274 2/20 0.42
ADORA1 P30542 1/20 0.42
HSD17B10 Q99714 2/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ADRA2B P18089 1/20 0.40
PTGS1 P23219 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
DHFR P00374 1/20 0.39
APP P05067 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL23944662 0.86 HSP90AA1 (0.44) HSP90AA1HSP90AB1ALDH1A1KDM4EHPGD
SCHEMBL23946975 0.80 HSP90AA1 (0.56) HSP90AA1HSP90AB1ALDH1A1KDM4EHPGD
SCHEMBL23947688 0.75 ALDH1A1 (0.45) HSP90AA1HSP90AB1ALDH1A1KDM4EHPGD
SCHEMBL3718236 0.72 HSP90AA1 (1.00) HSP90AA1HSP90AB1KDM4EADORA2AADORA1
SCHEMBL442333 0.72 HSP90AA1 (0.52) HSP90AA1HSP90AB1ALDH1A1KDM4EHPGD
SCHEMBL5918453 0.72 HSP90AA1 (0.59) HSP90AA1HSP90AB1ALDH1A1KDM4EHPGD
SCHEMBL10646200 0.72 HSP90AA1 (0.59) HSP90AA1HSP90AB1ALDH1A1KDM4EHPGD
SCHEMBL31047268 0.72 HSP90AA1 (0.59) HSP90AA1HSP90AB1ALDH1A1KDM4EHPGD
SCHEMBL23946628 0.71 KMT2A (0.43) HSP90AA1HSP90AB1ALDH1A1KDM4EHPGD
SCHEMBL28573164 0.69 CYP19A1 (0.54) HSP90AA1HSP90AB1ALDH1A1KDM4EHPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230174544-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME LG CHEM, LTD. (KR) 2023-06-08 US disclosed
US-20230174544-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME LG CHEM, LTD. (KR) 2023-06-08 US disclosed
WO-2021210911-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME 주식회사 엘지화학 2021-10-21 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230174544-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME CRY2, CYBA, AHR HSP90AA1 4526/4885HSP90AB1 4323/4885ALDH1A1 484/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.